CID 24381

4-chloro-1,3,5-triazin-2-amine

Structural Information

Molecular Formula
C3H3ClN4
SMILES
C1=NC(=NC(=N1)Cl)N
InChI
InChI=1S/C3H3ClN4/c4-2-6-1-7-3(5)8-2/h1H,(H2,5,6,7,8)
InChIKey
ULVNIJSKNRGBHX-UHFFFAOYSA-N
Compound name
4-chloro-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
Patents

130.00462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01190 119.3
[M+Na]+ 152.99384 133.3
[M+NH4]+ 148.03844 127.5
[M+K]+ 168.96778 127.4
[M-H]- 128.99734 120.4
[M+Na-2H]- 150.97929 127.4
[M]+ 130.00407 121.7
[M]- 130.00517 121.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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